Explore @atoms-ufrj Open Source projects

ATOMS: Applied Thermodynamics and Molecular Simulation (@atoms-ufrj)

atoms-ufrj

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Location 🇧🇷 Brazil
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playmol

Playmol is a(nother) software for building molecular models

postlammps

A tool for performing post-processing of lammps log files

atomsmm

AtomsMM is an OpenMM customization for the ATOMS group at UFRJ/Brazil

fortrix

A Fortran module for the definition and GPU-based evaluation of Matrix/Vector operations

polybuild

Dispersed polymer configurations for Molecular Dynamics

EmDee

EmDee: A Molecular Dynamics Laboratory

fix_hmc

A new LAMMPS fix style designed for Hybrid Monte Carlo simulations

USER-ATOMS

A LAMMPS user package developed at ATOMS/UFRJ

atoms_site

NBLists

A Neighbor List Handler for Molecular Simulation

atomsmm_examples

Example Scripts using AtomsMM

PSCP-article-2023

Additional information about the article "Revisiting the Pseudo-supercritical path Method: An Improved Formulation for the Alchemical Calculation of Solid-Liquid Coexistence"